A1EOB
  CCTOOLS-0626261019

 64 69  0  0  0  0  0  0  0  0999 V2000
    8.9480    3.3770    0.2640 C   0  0  0  0  0
    7.9900    2.2200    0.1510 C   0  0  0  0  0
    7.6350    1.5480    1.2320 N   0  0  0  0  0
    6.7950    0.5330    1.1340 C   0  0  0  0  0
    6.2870    0.1730   -0.1020 C   0  0  0  0  0
    6.6420    0.8440   -1.1830 N   0  0  0  0  0
    7.4780    1.8630   -1.0840 C   0  0  0  0  0
    5.3290   -0.9850   -0.2140 C   0  0  0  0  0
    3.9530   -0.4850   -0.1840 N   0  0  0  0  0
    2.9210   -1.3470   -0.2710 C   0  0  0  0  0
    3.1310   -2.5300   -0.4670 O   0  0  0  0  0
    1.5460   -0.8610   -0.1300 C   0  0  0  0  0
    1.2900    0.5310   -0.0340 C   0  0  0  0  0
    2.1960    1.3480   -0.0650 O   0  0  0  0  0
   -0.1150    0.9470    0.1060 C   0  0  0  0  0
   -0.4560    2.3030    0.2070 C   0  0  0  0  0
   -1.7790    2.6280    0.3340 C   0  0  0  0  0
   -2.7360    1.6120    0.3590 C   0  0  0  0  0
   -2.3900    0.3380    0.2620 N   0  0  0  0  0
   -1.1190   -0.0250    0.1370 C   0  0  0  0  0
   -0.8120   -1.3870    0.0380 N   0  0  0  0  0
    0.4800   -1.7690   -0.0960 C   0  0  0  0  0
    0.4910   -3.5380   -0.2010 S   0  0  0  0  0
   -1.2630   -3.7030   -0.0670 C   0  0  0  0  0
   -1.7650   -2.4140    0.0620 C   0  0  0  0  0
   -3.1550   -2.2620    0.1860 C   0  0  0  0  0
   -3.9800   -3.3620    0.1950 C   0  0  0  0  0
   -3.4600   -4.6410    0.0840 C   0  0  0  0  0
   -2.0980   -4.8100   -0.0650 C   0  0  0  0  0
   -4.0750    1.9430    0.4880 N   0  0  0  0  0
   -4.9140    0.7290    0.5890 C   0  0  0  0  0
   -6.1710    1.0790    1.3460 C   0  0  0  0  0
   -7.3140    1.4940    0.4060 C   0  0  0  0  0
   -6.8510    2.3660   -0.6980 N   0  0  0  0  0
   -7.9890    2.9750   -1.4000 C   0  0  0  0  0
   -5.8970    3.3710   -0.2880 C   0  0  0  0  0
   -4.4720    2.8290   -0.5210 C   0  0  0  0  0
    9.9700    3.0150    0.1530 H   0  0  0  0  0
    8.7330    4.1040   -0.5200 H   0  0  0  0  0
    8.8340    3.8500    1.2390 H   0  0  0  0  0
    6.5040   -0.0150    2.0180 H   0  0  0  0  0
    7.7650    2.4140   -1.9670 H   0  0  0  0  0
    5.5040   -1.5120   -1.1520 H   0  0  0  0  0
    5.4860   -1.6680    0.6210 H   0  0  0  0  0
    3.7840    0.4670   -0.1020 H   0  0  0  0  0
    0.3050    3.0700    0.1850 H   0  0  0  0  0
   -2.0810    3.6610    0.4150 H   0  0  0  0  0
   -3.5800   -1.2730    0.2750 H   0  0  0  0  0
   -5.0480   -3.2270    0.2910 H   0  0  0  0  0
   -4.1170   -5.4980    0.0930 H   0  0  0  0  0
   -1.6820   -5.8030   -0.1570 H   0  0  0  0  0
   -5.1730    0.3790   -0.4100 H   0  0  0  0  0
   -4.3690   -0.0490    1.1240 H   0  0  0  0  0
   -6.4870    0.2130    1.9270 H   0  0  0  0  0
   -5.9570    1.9020    2.0280 H   0  0  0  0  0
   -7.7660    0.5970   -0.0180 H   0  0  0  0  0
   -8.0690    2.0280    0.9840 H   0  0  0  0  0
   -8.5680    3.5760   -0.7000 H   0  0  0  0  0
   -7.6210    3.6100   -2.2060 H   0  0  0  0  0
   -8.6220    2.1910   -1.8160 H   0  0  0  0  0
   -6.0440    4.2760   -0.8780 H   0  0  0  0  0
   -6.0350    3.5970    0.7690 H   0  0  0  0  0
   -3.7750    3.6670   -0.5510 H   0  0  0  0  0
   -4.4420    2.3110   -1.4790 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 41  1  0  0  0
  5  8  1  0  0  0
  6  5  1  0  0  0
  7  6  2  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 12 22  2  0  0  0
 13 12  1  0  0  0
 13 15  1  0  0  0
 14 13  2  0  0  0
 15 20  2  0  0  0
 16 15  1  0  0  0
 16 17  2  0  0  0
 16 46  1  0  0  0
 17 18  1  0  0  0
 17 47  1  0  0  0
 18 19  2  0  0  0
 18 30  1  0  0  0
 20 21  1  0  0  0
 20 19  1  0  0  0
 21 25  1  0  0  0
 22 23  1  0  0  0
 22 21  1  0  0  0
 23 24  1  0  0  0
 24 29  1  0  0  0
 25 24  2  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
 26 48  1  0  0  0
 27 28  1  0  0  0
 27 49  1  0  0  0
 28 50  1  0  0  0
 29 28  2  0  0  0
 29 51  1  0  0  0
 30 37  1  0  0  0
 31 30  1  0  0  0
 31 32  1  0  0  0
 31 52  1  0  0  0
 31 53  1  0  0  0
 32 33  1  0  0  0
 32 54  1  0  0  0
 32 55  1  0  0  0
 33 34  1  0  0  0
 33 56  1  0  0  0
 33 57  1  0  0  0
 34 35  1  0  0  0
 35 58  1  0  0  0
 35 59  1  0  0  0
 35 60  1  0  0  0
 36 34  1  0  0  0
 36 61  1  0  0  0
 36 62  1  0  0  0
 37 36  1  0  0  0
 37 63  1  0  0  0
 37 64  1  0  0  0
M  END
$$$$
